General Information of the Compound
Compound ID
CP0537196
Compound Name
8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one
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Structure
Formula
C19H20N2O4
Molecular Weight
340.379
Canonical SMILES
OC(CNCCOc1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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InChI
InChI=1S/C19H20N2O4/c22-16-8-6-14(15-7-9-18(24)21-19(15)16)17(23)12-20-10-11-25-13-4-2-1-3-5-13/h1-9,17,20,22-23H,10-12H2,(H,21,24)
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InChIKey
QWOHLTIRTAWJNE-UHFFFAOYSA-N
Physicochemical Property
logP
1.9357
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
94.58
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155551133
ChEMBL ID
CHEMBL4542430
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 72.44 nM
   TI
   LI
   LO
   TS
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 0.1622 nM
   TI
   LI
   LO
   TS